MassBank Record: MSBNK-Keio_Univ-KO002947
ACCESSION: MSBNK-Keio_Univ-KO002947
RECORD_TITLE: L-Glutamine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID G018
CH$NAME: L-Gln
CH$NAME: L-Glutamine
CH$NAME: L-2-Aminoglutaramic acid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H10N2O3
CH$EXACT_MASS: 146.06914
CH$SMILES: NC(=O)CC[C@H](N)C(O)=O
CH$IUPAC: InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1
CH$LINK: CAS
56-85-9
CH$LINK: CHEBI
18050
CH$LINK: CHEMPDB GLN
CH$LINK: KEGG
C00064
CH$LINK: NIKKAJI
J9.170G
CH$LINK: PUBCHEM
SID:3364
CH$LINK: INCHIKEY
ZDXPYRJPNDTMRX-VKHMYHEASA-N
CH$LINK: COMPTOX
DTXSID1023100
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 147
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-001i-9000000000-1b1dd2de183603a45a37
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
41.100 450495.5 51
43.800 49505.0 6
56.200 3163369.5 355
66.200 49505.0 6
68.200 24752.5 3
69.300 24752.5 3
73.700 108911.0 12
84.300 8896048.5 999
84.900 113861.5 13
//